Information card for entry 2242798

Structure parameters

• Chemical name: Tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)
• Formula: C48 H34 Co N14 O2
• Calculated formula: C48 H34 Co N14 O2
• SMILES: [Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]3cccc1)[n]1ccccc1c1[n]2cccc1.O(C(=C(C#N)C#N)[C-](C#N)C#N)CC.O(C(=C(C#N)C#N)[C-](C#N)C#N)CC
• Title of publication: Crystal structure of tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)
• Authors of publication: Benabdallah, Jamila; Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Titi, Abderrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 142 - 145
• a: 22.335 ± 0.004 Å
• b: 10.9454 ± 0.0017 Å
• c: 18.721 ± 0.003 Å
• α: 90°
• β: 110.691 ± 0.005°
• γ: 90°
• Cell volume: 4281.4 ± 1.2 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes